Cheminformatic Tools and Databases for Pharmacology

session 32018 - Total of 2 hits - Display   hits per page:

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1 INNClassRoute (list)PK parameters= Cmax; Tmax; F: bioavailability; t1/2: half-life; VD: volume of distribution; Cl: clearance; PPB: plasma protein binding;(EQN means that value was calculated using VD=(Cl*t1/2)/0.693)Primary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
MIDOSTAURIN (has an active metabolite)

MIDOSTAURIN


ATC L01XE39

ANTINEOPLASTIC
TREATMENT OF ACUTE MYELOID LEUKEMIA (AML) OR AGGRESSIVE SYSTEMIC MASTOCYTOSIS (ASM)
MULTIKINASE TYROSINE KINASE INHIBITOR (FLT3, FLT3 MUTANT KINASES (ITD AND TKD), KIT (WILD TYPE AND D816V MUTANT), PDGFR ALPHA/BETA, VEGFR2, AS WELL AS MEMBERS OF THE SERINE/THREONINE KINASE PKC (PROTEIN KINASE C) FAMILY)

ORAL

Tmax 2 HOUR

VD 95.2 LITER

PPB 99.8 PERCENT

HT 21 HOUR

FLT3 KINASE
FLT3 MUTANT KINASES
KIT
PDGFR
VEGFR2
SERINE/THREONINE KINASE PKC

PDB 4NCT (HUMAN DYRK1A IN COMPLEX WITH PKC412)

LIGAND CODE = 2K2 (link to the list of PDB complexes)

Download experimental 3D coordinates of 2K2 with added hydrogens

ENZYME FLT3_HUMAN INHIBITOR P36888ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

2 INNClassRoute (list)PK parameters= Cmax; Tmax; F: bioavailability; t1/2: half-life; VD: volume of distribution; Cl: clearance; PPB: plasma protein binding;(EQN means that value was calculated using VD=(Cl*t1/2)/0.693)Primary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
M MIDOSTAURIN (is an active metabolite)

MIDOSTAURIN


ATC L01XE39

ANTINEOPLASTIC
TREATMENT OF ACUTE MYELOID LEUKEMIA (AML) OR AGGRESSIVE SYSTEMIC MASTOCYTOSIS (ASM)
MULTIKINASE TYROSINE KINASE INHIBITOR (FLT3, FLT3 MUTANT KINASES (ITD AND TKD), KIT (WILD TYPE AND D816V MUTANT), PDGFR ALPHA/BETA, VEGFR2, AS WELL AS MEMBERS OF THE SERINE/THREONINE KINASE PKC (PROTEIN KINASE C) FAMILY)

-

PPB 99.8 PERCENT

HT 482 HOUR

FLT3 KINASE
FLT3 MUTANT KINASES
KIT
PDGFR
VEGFR2
SERINE/THREONINE KINASE PKC

ENZYME FLT3_HUMAN INHIBITOR P36888ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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